CID 73555356

9-eicosenedioic acid, (9z)-

Structural Information

Molecular Formula

C₂₀H₃₆O₄

SMILES

C(CCCC/C=C\CCCCCCCC(=O)O)CCCCC(=O)O

InChI

InChI=1S/C20H36O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1,3H,2,4-18H2,(H,21,22)(H,23,24)/b3-1-

InChIKey

NZLFRLCYQVOISV-IWQZZHSRSA-N

Compound name

(Z)-icos-9-enedioic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 340.26135 Da
Monoisotopic Mass: 6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	341.268626	191.5
[M+Na]+	363.250568	192.3
[M-H]-	339.254074	186.4
[M+NH4]+	358.295173	203.4
[M+K]+	379.224508	187.7
[M+H-H2O]+	323.258610	184.5
[M+HCOO]-	385.259551	207.1
[M+CH3COO]-	399.275201	210.2
[M+Na-2H]-	361.236016	187.7
[M]+	340.26080142	196.5
[M]-	340.26189858	196.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe